Chemical Properties of Exo-2-hydroxycineole

InChI

InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m1/s1

InChI Key

YVCUGZBVCHODNB-CCNFQMFXSA-N

Formula

C10H18O2

SMILES

CC1(C)OC2(C)CCC1C[C@H]2O

Molecular Weight¹

170.25

Other Names

• 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol, (1«alpha»,4«alpha»,6«beta»)-
• 2-Hydroxycineole, exo-
• 2-exo-Hydroxy-1,8-cineole
• 2«alpha»-Hydroxy-1,8-cineol
• 2«alpha»-Hydroxy-1,8-cineole
• exo-2-Hydroxy-8-cineole
• exo-2-Hydroxycineol
• trans-2-Hydroxy-1,8-cineole

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.34	kJ/mol	Joback Calculated Property
ΔvapH°	74.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.13		Relay (1.0) Calculated Property
logPoct/wat	1.715		Crippen Calculated Property
McVol	141.780	ml/mol	McGowan Calculated Property
Inp	[1196.00; 1230.00]
Inp	1212.00		NIST
Inp	1228.00		NIST
Inp	1230.00		NIST
Inp	1218.00		NIST
Inp	1219.00		NIST
Inp	1228.00		NIST
Inp	1196.00		NIST
Inp	1196.00		NIST
Inp	1230.00		NIST
Ip	[1834.00; 1888.00]
Ip	1845.00		NIST
Ip	1870.00		NIST
Ip	1834.00		NIST
Ip	1836.00		NIST
Ip	1834.00		NIST
Ip	1836.00		NIST
Ip	1859.00		NIST
Ip	1861.00		NIST
Ip	Outlier 1888.00		NIST
Ip	1857.00		NIST
Ip	1875.00		NIST
Ip	1840.00		NIST
Tboil	507.76	K	Relay (1.0) Calculated Property
Tfus	365.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.49; 564.44]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.82420e+02
Coefficient B			1.79826e+00
Coefficient C			-1.83870e-03
Coefficient D			7.87300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.49	J/mol×K	273.00	Calculated Property
Cp,gas	258.50	J/mol×K	353.78	Calculated Property
Cp,gas	316.41	J/mol×K	434.56	Calculated Property
Cp,gas	363.73	J/mol×K	515.33	Calculated Property
Cp,gas	402.94	J/mol×K	596.11	Calculated Property
Cp,gas	436.52	J/mol×K	676.89	Calculated Property
Cp,gas	466.97	J/mol×K	757.67	Calculated Property
Cp,gas	496.78	J/mol×K	838.44	Calculated Property
Cp,gas	528.44	J/mol×K	919.22	Calculated Property
Cp,gas	564.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Exo-2-hydroxycineole.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.